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1elu

COMPLEX BETWEEN THE CYSTINE C-S LYASE C-DES AND ITS REACTION PRODUCT CYSTEINE PERSULFIDE.

Method: X-RAY DIFFRACTION D_max: 91.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1elu
deposition_date	2000-03-14
title	COMPLEX BETWEEN THE CYSTINE C-S LYASE C-DES AND ITS REACTION PRODUCT CYSTEINE PERSULFIDE.
keywords	;FeS cluster biosynthesis, pyridoxal 5'-phosphate, thiocysteine, aminoacrylate, enzyme-product complex, LYASE ;; LYASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	28.04 Å
rg_electron	27.02 Å
i0	111440000.00
molecular_weight	84006.0 kDa
excluded_volume	105220 Å³
envelope_volume	121090 Å³
shell_volume	36822 Å³
envelope_diameter	96.3 Å
shell_rg	35.09 Å
envelope_rg	27.22 Å
shape_rg	27.01 Å
total_rg	27.81 Å
total_atoms	5928
n_residues	762
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	91.1 Å
rg_real	27.99 Å
rg_real_error	0.52 Å
i0_real	1.1140e+08
i0_real_error	1.5350e+06
rg_reciprocal	28.01 Å
i0_reciprocal	111400000.0000
total_estimate	0.8897
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.0 Å
skewness	0.352
kurtosis	-0.312
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	62130000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.865; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.968

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	L-CYSTEINE/L-CYSTINE C-S LYASE
formula_weight	42846.6 kDa
mutation	MADPVNLIPDR TO MTMITPSL
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6680

MTMITPSLHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP

Source

organism	Synechocystis sp.
ncbi_taxonomy_id	1147
host_organism	Bacteria

Entity 2 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID
formula_weight	320.2 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	S-MERCAPTOCYSTEINE
formula_weight	153.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	752

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6. Citations (1)

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length_a	62.448 Å
length_b	65.386 Å
length_c	170.532 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.550 Å
resolution_low	25.000 Å
r_factor	0.2180
r_work	0.2140
r_free	0.2590

fit	/app/data/saxs_computation/el/1elu/1elu.fit
pddf	/app/data/pr_computation/el/1elu/1elu.pr.out
profile	/app/data/saxs_computation/el/1elu/1elu.dat